N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C20H21ClN2O4S — CID 20996979

IUPACN-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C20H21ClN2O4S/c1-20(2,3)15-6-4-5-7-17(15)22-19(25)14-9-8-13(12-16(14)21)23-18(24)10-11-28(23,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyBFGDHAZHSUAFSK-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.96
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996979) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996979
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C20H21ClN2O4S/c1-20(2,3)15-6-4-5-7-17(15)22-19(25)14-9-8-13(12-16(14)21)23-18(24)10-11-28(23,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyBFGDHAZHSUAFSK-UHFFFAOYSA-N
XLogP3.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007163
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996989
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007173
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
2-chloro-N-(3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996951
2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996972
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137
2-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007232
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996979) is N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is BFGDHAZHSUAFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-20(2,3)15-6-4-5-7-17(15)22-19(25)14-9-8-13(12-16(14)21)23-18(24)10-11-28(23,26)27/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 420.92 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).